naphthalen-1-ylmethyl 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: naphthalen-1-ylmethyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: 1-naphthylmethyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid 1-naphthylmethyl ester Formula: C21H18O3S MolecularWeight: 350.43082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H18O3S/c1-15(22)14-25-20-12-5-4-11-19(20)21(23)24-13-17-9-6-8-16-7-2-3-10-18(16)17/h2-12H,13-14H2,1H3